REMARK Name = BDB045384 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.339 -0.241 1.566 0.00 0.00 +0.121 A ATOM 2 C LIG 1 -0.959 1.057 1.899 0.00 0.00 +0.046 A ATOM 3 C LIG 1 0.074 1.693 1.198 0.00 0.00 +0.007 A ATOM 4 C LIG 1 0.752 1.037 0.160 0.00 0.00 -0.042 A ATOM 5 C LIG 1 0.363 -0.268 -0.164 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -0.667 -0.900 0.537 0.00 0.00 +0.046 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 1.863 1.717 -0.633 0.00 0.00 +0.050 C ATOM 8 C LIG 1 3.028 2.238 0.258 0.00 0.00 +0.140 C ATOM 9 C LIG 1 3.567 3.595 -0.262 0.00 0.00 +0.113 C ATOM 10 N LIG 1 3.641 3.639 -1.724 0.00 0.00 -0.313 NA ATOM 11 H LIG 1 4.117 4.484 -2.037 0.00 0.00 +0.122 HD ATOM 12 C LIG 1 2.334 3.512 -2.363 0.00 0.00 +0.081 C ATOM 13 C LIG 1 1.266 2.846 -1.491 0.00 0.00 +0.026 C BRANCH 8 14 ATOM 14 O LIG 1 4.137 1.320 0.278 0.00 0.00 -0.370 OA BRANCH 14 15 ATOM 15 C LIG 1 3.891 0.115 0.998 0.00 0.00 +0.195 C BRANCH 15 16 ATOM 16 C LIG 1 5.190 -0.631 1.214 0.00 0.00 -0.021 A ATOM 17 C LIG 1 6.228 -0.573 0.270 0.00 0.00 +0.014 A ATOM 18 C LIG 1 7.419 -1.296 0.443 0.00 0.00 -0.018 A ATOM 19 C LIG 1 7.574 -2.108 1.588 0.00 0.00 -0.018 A ATOM 20 C LIG 1 8.766 -2.830 1.762 0.00 0.00 +0.008 A ATOM 21 C LIG 1 9.790 -2.752 0.817 0.00 0.00 +0.001 A ATOM 22 C LIG 1 9.637 -1.952 -0.311 0.00 0.00 +0.001 A ATOM 23 C LIG 1 6.530 -2.177 2.524 0.00 0.00 +0.009 A ATOM 24 C LIG 1 8.458 -1.228 -0.497 0.00 0.00 +0.008 A ATOM 25 C LIG 1 5.351 -1.452 2.337 0.00 0.00 +0.006 A ENDBRANCH 15 16 ENDBRANCH 14 15 ENDBRANCH 8 14 ENDBRANCH 4 7 BRANCH 1 26 ATOM 26 O LIG 1 -2.332 -0.972 2.153 0.00 0.00 -0.492 OA BRANCH 26 27 ATOM 27 C LIG 1 -3.194 -0.341 3.101 0.00 0.00 +0.229 C BRANCH 27 28 ATOM 28 C LIG 1 -4.275 0.510 2.426 0.00 0.00 +0.043 C BRANCH 28 29 ATOM 29 C LIG 1 -5.140 -0.306 1.464 0.00 0.00 +0.031 C BRANCH 29 30 ATOM 30 C LIG 1 -6.186 0.569 0.780 0.00 0.00 +0.160 C BRANCH 30 31 ATOM 31 O LIG 1 -7.092 -0.200 -0.007 0.00 0.00 -0.375 OA BRANCH 31 32 ATOM 32 C LIG 1 -6.528 -0.657 -1.239 0.00 0.00 +0.195 C BRANCH 32 36 ATOM 33 C LIG 1 -9.549 -2.373 -3.806 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -9.849 -1.252 -3.034 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -8.880 -0.701 -2.193 0.00 0.00 +0.006 A ATOM 36 C LIG 1 -7.600 -1.271 -2.109 0.00 0.00 -0.022 A ATOM 37 C LIG 1 -7.308 -2.392 -2.899 0.00 0.00 +0.006 A ATOM 38 C LIG 1 -8.278 -2.943 -3.740 0.00 0.00 +0.000 A ENDBRANCH 32 36 ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 1 26 TORSDOF 12